N-[3-[1-[4-(2-methylpropyl)phenyl]ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-[4-(2-methylpropyl)phenyl]ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[1-(4-isobutylphenyl)ethylamino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[1-[4-(2-methylpropyl)phenyl]ethylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-[4-(2-methylpropyl)phenyl]ethylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[1-(4-isobutylphenyl)ethylamino]-3-keto-propyl]-4-nitro-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-15(2)14-17-4-6-18(7-5-17)16(3)24-21(26)12-13-23-22(27)19-8-10-20(11-9-19)25(28)29/h4-11,15-16H,12-14H2,1-3H3,(H,23,27)(H,24,26)