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

Systemtic Name: 3-[[4-[(4-methoxyphenyl)carbamoyl]-2-nitro-phenyl]amino]propylazanium Openeye Name: 3-[4-[(4-methoxyphenyl)carbamoyl]-2-nitro-anilino]propylammonium CAS Name: 3-[4-[(4-methoxyanilino)-oxomethyl]-2-nitroanilino]propylammonium IUPAC Name: 3-[4-[(4-methoxyphenyl)carbamoyl]-2-nitroanilino]propylazanium Traditional Name: 3-[4-[(4-methoxyphenyl)carbamoyl]-2-nitro-anilino]propylammonium Formula: C17H21N4O4+ MolecularWeight: 345.37304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4/c1-25-14-6-4-13(5-7-14)20-17(22)12-3-8-15(19-10-2-9-18)16(11-12)21(23)24/h3-8,11,19H,2,9-10,18H2,1H3,(H,20,22)/p+1