dimethyl 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]butanedioate

Systemtic Name: dimethyl 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]butanedioate Openeye Name: dimethyl 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]butanedioate CAS Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]butanedioate Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)phenyl]succinic acid dimethyl ester Formula: C27H24N4O7 MolecularWeight: 516.50206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC(=C(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(=O)OC

Isomeric SMILES

COC(=O)CC(C1=CC(=C(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)C(=O)OC

InChI

InChI=1S/C27H24N4O7/c1-37-24(32)13-20(27(34)38-2)16-10-19(14-4-3-5-18(9-14)31(35)36)25(33)21(11-16)23-12-17-8-15(26(28)29)6-7-22(17)30-23/h3-12,20,30,33H,13H2,1-2H3,(H3,28,29)