2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-nitro-phenyl)ethanoate hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-ethyl-4-nitro-phenyl)ethanoate hydrochloride Openeye Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-nitro-phenyl)acetate hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-nitrophenyl)acetate hydrochloride IUPAC Name: 2-(4-carbamimidoylanilino)-2-(3-ethyl-4-nitrophenyl)acetate hydrochloride Traditional Name: 2-(4-amidinoanilino)-2-(3-ethyl-4-nitro-phenyl)acetate hydrochloride Formula: C17H18ClN4O4- MolecularWeight: 377.80222

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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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O4.ClH/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);1H/p-1