[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-methoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] (E)-3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-propenoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-isopropoxy-3-methoxy-phenyl)acrylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-14(2)30-18-9-7-15(11-19(18)28-3)8-10-21(25)29-13-20(24)22-16-5-4-6-17(12-16)23(26)27/h4-12,14H,13H2,1-3H3,(H,22,24)/b10-8+