2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)carbonylamino]prop-2-enoate

Systemtic Name: 2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)carbonylamino]prop-2-enoate Openeye Name: isobutyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrobenzoyl)amino]prop-2-enoate CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-2-propenoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrobenzoyl)amino]prop-2-enoate Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrobenzoyl)amino]acrylic acid isobutyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-13(2)11-28-21(25)17(8-14-6-7-18-19(9-14)30-12-29-18)22-20(24)15-4-3-5-16(10-15)23(26)27/h3-10,13H,11-12H2,1-2H3,(H,22,24)/b17-8-