sodium [4-[[3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]methoxycarbonyl]phenyl] hydrogen phosphate

Systemtic Name: sodium [4-[[3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]methoxycarbonyl]phenyl] hydrogen phosphate Openeye Name: sodium [4-[[3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-2,5-dioxo-pyrrol-1-yl]methoxycarbonyl]phenyl] hydrogen phosphate CAS Name: sodium [4-[[3-(1-methyl-3-indolyl)-4-(1-methyl-6-nitro-3-indolyl)-2,5-dioxo-1-pyrrolyl]methoxy-oxomethyl]phenyl] hydrogen phosphate IUPAC Name: sodium [4-[[3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)-2,5-dioxopyrrol-1-yl]methoxycarbonyl]phenyl] hydrogen phosphate Traditional Name: sodium [4-[[2,5-diketo-3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-3-pyrrolin-1-yl]methoxycarbonyl]phenyl] hydrogen phosphate Formula: C30H22N4NaO10P MolecularWeight: 652.480011

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)COC(=O)C4=CC=C(C=C4)OP(=O)(O)[O-])C5=CN(C6=C5C=CC(=C6)[N+](=O)[O-])C.[Na+]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)N(C3=O)COC(=O)C4=CC=C(C=C4)OP(=O)(O)[O-])C5=CN(C6=C5C=CC(=C6)[N+](=O)[O-])C.[Na+]

InChI

InChI=1S/C30H23N4O10P.Na/c1-31-14-22(20-5-3-4-6-24(20)31)26-27(23-15-32(2)25-13-18(34(38)39)9-12-21(23)25)29(36)33(28(26)35)16-43-30(37)17-7-10-19(11-8-17)44-45(40,41)42;/h3-15H,16H2,1-2H3,(H2,40,41,42);/q;+1/p-1