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

Systemtic Name: prop-2-ynyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(3-nitrophenyl)carbonylamino]prop-2-enoate Openeye Name: prop-2-ynyl (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 prop-2-ynyl ester IUPAC Name: prop-2-ynyl (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 propargyl ester Formula: C20H14N2O7 MolecularWeight: 394.33436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O7/c1-2-8-27-20(24)16(9-13-6-7-17-18(10-13)29-12-28-17)21-19(23)14-4-3-5-15(11-14)22(25)26/h1,3-7,9-11H,8,12H2,(H,21,23)/b16-9-