N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O4/c1-28(2,3)21-12-9-19(10-13-21)26(33)29-22-7-6-8-23(18-22)30-27(34)20-11-14-24(25(17-20)32(35)36)31-15-4-5-16-31/h6-14,17-18H,4-5,15-16H2,1-3H3,(H,29,33)(H,30,34)