3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-benzoic acid

Systemtic Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-5-(3-nitrophenyl)-4-oxidanyl-benzoic acid Openeye Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)benzoic acid CAS Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)benzoic acid IUPAC Name: 3-(5-carbamimidoyl-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)benzoic acid Traditional Name: 3-(5-amidino-1H-indol-2-yl)-4-hydroxy-5-(3-nitrophenyl)benzoic acid Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O5/c23-21(24)12-4-5-18-13(6-12)10-19(25-18)17-9-14(22(28)29)8-16(20(17)27)11-2-1-3-15(7-11)26(30)31/h1-10,25,27H,(H3,23,24)(H,28,29)