N,N-dimethylmethanamide; (4-nitrophenyl) 4-carbamimidoylbenzoate; hydrochloride

Systemtic Name: N,N-dimethylmethanamide; (4-nitrophenyl) 4-carbamimidoylbenzoate; hydrochloride Openeye Name: N,N-dimethylformamide; (4-nitrophenyl) 4-carbamimidoylbenzoate; hydrochloride CAS Name: 4-carbamimidoylbenzoic acid (4-nitrophenyl) ester; N,N-dimethylformamide; hydrochloride IUPAC Name: N,N-dimethylformamide; (4-nitrophenyl) 4-carbamimidoylbenzoate; hydrochloride Traditional Name: 4-amidinobenzoic acid (4-nitrophenyl) ester; N,N-dimethylformamide; hydrochloride Formula: C17H19ClN4O5 MolecularWeight: 394.80956

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=O.C1=CC(=CC=C1C(=N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)C=O.C1=CC(=CC=C1C(=N)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H11N3O4.C3H7NO.ClH/c15-13(16)9-1-3-10(4-2-9)14(18)21-12-7-5-11(6-8-12)17(19)20;1-4(2)3-5;/h1-8H,(H3,15,16);3H,1-2H3;1H