[3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]methyl 4-phosphonooxybenzoate

Systemtic Name: [3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]methyl 4-phosphonooxybenzoate Openeye Name: [3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-2,5-dioxo-pyrrol-1-yl]methyl 4-phosphonooxybenzoate CAS Name: 4-phosphonooxybenzoic acid [3-(1-methyl-3-indolyl)-4-(1-methyl-6-nitro-3-indolyl)-2,5-dioxo-1-pyrrolyl]methyl ester IUPAC Name: [3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)-2,5-dioxopyrrol-1-yl]methyl 4-phosphonooxybenzoate Traditional Name: 4-phosphonooxybenzoic acid [2,5-diketo-3-(1-methylindol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-3-pyrrolin-1-yl]methyl ester Formula: C30H23N4O10P MolecularWeight: 630.498181

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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

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

InChI

InChI=1S/C30H23N4O10P/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)