4-[2,6-bis(azanyl)-1-(4-carboxyphenyl)-3,7-bis(ethoxycarbonyl)-4,8-bis(oxidanylidene)pyrrolo[2,3-f]indol-5-yl]benzoic acid

Systemtic Name: 4-[2,6-bis(azanyl)-1-(4-carboxyphenyl)-3,7-bis(ethoxycarbonyl)-4,8-bis(oxidanylidene)pyrrolo[2,3-f]indol-5-yl]benzoic acid Openeye Name: 4-[2,6-diamino-1-(4-carboxyphenyl)-3,7-bis(ethoxycarbonyl)-4,8-dioxo-pyrrolo[2,3-f]indol-5-yl]benzoic acid CAS Name: 4-[2,6-diamino-1-(4-carboxyphenyl)-3,7-bis(ethoxycarbonyl)-4,8-dioxo-5-pyrrolo[2,3-f]indolyl]benzoic acid IUPAC Name: 4-[2,6-diamino-1-(4-carboxyphenyl)-3,7-bis(ethoxycarbonyl)-4,8-dioxopyrrolo[2,3-f]indol-5-yl]benzoic acid Traditional Name: 4-[2,6-diamino-3,7-dicarbethoxy-1-(4-carboxyphenyl)-4,8-diketo-pyrrol[2,3-f]indol-5-yl]benzoic acid Formula: C30H24N4O10 MolecularWeight: 600.53236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=O)C3=C(C2=O)C(=C(N3C4=CC=C(C=C4)C(=O)O)N)C(=O)OCC)C5=CC=C(C=C5)C(=O)O)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=O)C3=C(C2=O)C(=C(N3C4=CC=C(C=C4)C(=O)O)N)C(=O)OCC)C5=CC=C(C=C5)C(=O)O)N

InChI

InChI=1S/C30H24N4O10/c1-3-43-29(41)19-17-21(33(25(19)31)15-9-5-13(6-10-15)27(37)38)24(36)18-20(30(42)44-4-2)26(32)34(22(18)23(17)35)16-11-7-14(8-12-16)28(39)40/h5-12H,3-4,31-32H2,1-2H3,(H,37,38)(H,39,40)