propan-2-yl 3-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]-3-(4-methylphenyl)propanoate

Systemtic Name: propan-2-yl 3-[[4-(dimethylamino)-3-nitro-phenyl]carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: isopropyl 3-[[4-(dimethylamino)-3-nitro-benzoyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(dimethylamino)-3-nitrobenzoyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[4-(dimethylamino)-3-nitro-benzoyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5/c1-14(2)30-21(26)13-18(16-8-6-15(3)7-9-16)23-22(27)17-10-11-19(24(4)5)20(12-17)25(28)29/h6-12,14,18H,13H2,1-5H3,(H,23,27)