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

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-(3,5-dimethoxy-4-nitro-phenyl)-N-(phenylmethyl)ethanamide hydrochloride Openeye Name: N-benzyl-2-(4-carbamimidoylanilino)-2-(3,5-dimethoxy-4-nitro-phenyl)acetamide hydrochloride CAS Name: 2-(4-carbamimidoylanilino)-2-(3,5-dimethoxy-4-nitrophenyl)-N-(phenylmethyl)acetamide hydrochloride IUPAC Name: N-benzyl-2-(4-carbamimidoylanilino)-2-(3,5-dimethoxy-4-nitrophenyl)acetamide hydrochloride Traditional Name: 2-(4-amidinoanilino)-N-benzyl-2-(3,5-dimethoxy-4-nitro-phenyl)acetamide hydrochloride Formula: C24H26ClN5O5 MolecularWeight: 499.94674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[N+](=O)[O-])OC)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC1=CC(=CC(=C1[N+](=O)[O-])OC)C(C(=O)NCC2=CC=CC=C2)NC3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C24H25N5O5.ClH/c1-33-19-12-17(13-20(34-2)22(19)29(31)32)21(24(30)27-14-15-6-4-3-5-7-15)28-18-10-8-16(9-11-18)23(25)26;/h3-13,21,28H,14H2,1-2H3,(H3,25,26)(H,27,30);1H