2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-nitro-phenyl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-nitro-phenyl)ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-nitro-phenyl)acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-nitrophenyl)acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-nitrophenyl)acetic acid Traditional Name: 2-(4-amidinoanilino)-2-(3-ethyl-4-nitro-phenyl)acetic acid Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1)C(C(=O)O)NC2=CC=C(C=C2)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4/c1-2-10-9-12(5-8-14(10)21(24)25)15(17(22)23)20-13-6-3-11(4-7-13)16(18)19/h3-9,15,20H,2H2,1H3,(H3,18,19)(H,22,23)