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

Systemtic Name: N-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl]-3-nitro-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-14-11-16(7-8-18(14)23-9-2-3-10-23)22-19(25)13-21-20(26)15-5-4-6-17(12-15)24(27)28/h4-8,11-12H,2-3,9-10,13H2,1H3,(H,21,26)(H,22,25)