N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(2,6-dimethylanilino)-2-keto-ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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