N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-methyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-methyl-N-[2-(4-methylanilino)-2-oxo-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-keto-2-(p-toluidino)ethyl]-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4/c1-15-5-8-17(9-6-15)22-20(26)14-23(2)21(27)16-7-10-18(19(13-16)25(28)29)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,22,26)