N-(4-acetamido-3-methyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-acetamido-3-methylphenyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-13-11-16(6-7-17(13)21-14(2)25)22-20(26)15-5-8-18(19(12-15)24(27)28)23-9-3-4-10-23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,25)(H,22,26)