2-[[4-[(4-methylphenyl)carbamoyl]-2-nitro-phenyl]amino]ethylazanium

Systemtic Name: 2-[[4-[(4-methylphenyl)carbamoyl]-2-nitro-phenyl]amino]ethylazanium Openeye Name: 2-[2-nitro-4-(p-tolylcarbamoyl)anilino]ethylammonium CAS Name: 2-[4-[(4-methylanilino)-oxomethyl]-2-nitroanilino]ethylammonium IUPAC Name: 2-[4-[(4-methylphenyl)carbamoyl]-2-nitroanilino]ethylazanium Traditional Name: 2-[2-nitro-4-(p-tolylcarbamoyl)anilino]ethylammonium Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCC[NH3+])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCC[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3/c1-11-2-5-13(6-3-11)19-16(21)12-4-7-14(18-9-8-17)15(10-12)20(22)23/h2-7,10,18H,8-9,17H2,1H3,(H,19,21)/p+1