3-[[4-[(4-chlorophenyl)carbamoyl]-2-nitro-phenyl]amino]propylazanium

Systemtic Name: 3-[[4-[(4-chlorophenyl)carbamoyl]-2-nitro-phenyl]amino]propylazanium Openeye Name: 3-[4-[(4-chlorophenyl)carbamoyl]-2-nitro-anilino]propylammonium CAS Name: 3-[4-[(4-chloroanilino)-oxomethyl]-2-nitroanilino]propylammonium IUPAC Name: 3-[4-[(4-chlorophenyl)carbamoyl]-2-nitroanilino]propylazanium Traditional Name: 3-[4-[(4-chlorophenyl)carbamoyl]-2-nitro-anilino]propylammonium Formula: C16H18ClN4O3+ MolecularWeight: 349.79212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)NCCC[NH3+])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)NCCC[NH3+])[N+](=O)[O-])Cl

InChI

InChI=1S/C16H17ClN4O3/c17-12-3-5-13(6-4-12)20-16(22)11-2-7-14(19-9-1-8-18)15(10-11)21(23)24/h2-7,10,19H,1,8-9,18H2,(H,20,22)/p+1