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

Systemtic Name: diethyl 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-phenyl]butanedioate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C29H28N4O7 MolecularWeight: 544.55522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=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)OCC

Isomeric SMILES

CCOC(=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)OCC

InChI

InChI=1S/C29H28N4O7/c1-3-39-26(34)15-22(29(36)40-4-2)18-12-21(16-6-5-7-20(11-16)33(37)38)27(35)23(13-18)25-14-19-10-17(28(30)31)8-9-24(19)32-25/h5-14,22,32,35H,3-4,15H2,1-2H3,(H3,30,31)