2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(4-methyl-3-nitro-phenyl)-4-oxidanyl-phenyl]ethanoic acid

Systemtic Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-5-(4-methyl-3-nitro-phenyl)-4-oxidanyl-phenyl]ethanoic acid Openeye Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(4-methyl-3-nitro-phenyl)phenyl]acetic acid CAS Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(4-methyl-3-nitrophenyl)phenyl]acetic acid IUPAC Name: 2-[3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(4-methyl-3-nitrophenyl)phenyl]acetic acid Traditional Name: 2-[3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(4-methyl-3-nitro-phenyl)phenyl]acetic acid Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC(=CC(=C2O)C3=CC4=C(N3)C=CC(=C4)C(=N)N)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5/c1-12-2-3-14(11-21(12)28(32)33)17-6-13(8-22(29)30)7-18(23(17)31)20-10-16-9-15(24(25)26)4-5-19(16)27-20/h2-7,9-11,27,31H,8H2,1H3,(H3,25,26)(H,29,30)