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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-3-4-12-29-18-10-8-16(9-11-18)20(24)22-19(21(25)28-2)14-15-6-5-7-17(13-15)23(26)27/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,24)/b19-14-