N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-5-nitro-2-pyrrolidino-benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C21H24N4O4/c1-2-15-7-3-4-8-18(15)23-20(26)14-22-21(27)17-13-16(25(28)29)9-10-19(17)24-11-5-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,27)(H,23,26)