methyl (Z)-2-[[4-(2-methylpropoxy)phenyl]carbonylamino]-3-(3-nitrophenyl)prop-2-enoate

Systemtic Name: methyl (Z)-2-[[4-(2-methylpropoxy)phenyl]carbonylamino]-3-(3-nitrophenyl)prop-2-enoate Openeye Name: methyl (Z)-2-[(4-isobutoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate CAS Name: (Z)-2-[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-3-(3-nitrophenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-[[4-(2-methylpropoxy)benzoyl]amino]-3-(3-nitrophenyl)prop-2-enoate Traditional Name: (Z)-2-[(4-isobutoxybenzoyl)amino]-3-(3-nitrophenyl)acrylic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-14(2)13-29-18-9-7-16(8-10-18)20(24)22-19(21(25)28-3)12-15-5-4-6-17(11-15)23(26)27/h4-12,14H,13H2,1-3H3,(H,22,24)/b19-12-