2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-N-(phenylmethyl)ethanamide hydrochloride

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-N-(phenylmethyl)ethanamide hydrochloride Openeye Name: N-benzyl-2-(4-carbamimidoylanilino)-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)acetamide hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)-N-(phenylmethyl)acetamide hydrochloride IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-(4-hydroxy-3-methoxy-5-nitrophenyl)acetamide hydrochloride Traditional Name: 2-(4-amidinoanilino)-N-benzyl-2-(4-hydroxy-3-methoxy-5-nitro-phenyl)acetamide hydrochloride Formula: C23H24ClN5O5 MolecularWeight: 485.92016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C23H23N5O5.ClH/c1-33-19-12-16(11-18(21(19)29)28(31)32)20(23(30)26-13-14-5-3-2-4-6-14)27-17-9-7-15(8-10-17)22(24)25;/h2-12,20,27,29H,13H2,1H3,(H3,24,25)(H,26,30);1H