4-(2-azanylethylamino)-N-(4-methylphenyl)-3-nitro-benzamide

Systemtic Name: 4-(2-azanylethylamino)-N-(4-methylphenyl)-3-nitro-benzamide Openeye Name: 4-(2-aminoethylamino)-3-nitro-N-(p-tolyl)benzamide CAS Name: 4-(2-aminoethylamino)-N-(4-methylphenyl)-3-nitrobenzamide IUPAC Name: 4-(2-aminoethylamino)-N-(4-methylphenyl)-3-nitrobenzamide Traditional Name: 4-(2-aminoethylamino)-3-nitro-N-(p-tolyl)benzamide Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCN)[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)