[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 6-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 6-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 6-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 6-methoxy-2-oxo-1-benzopyran-3-carboxylic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 6-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-6-methoxy-chromene-3-carboxylic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O)OC)C#N

Isomeric SMILES

CC(C)NC(=O)/C(=C/C1=CC(=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)OC)OC2=O)OC)/C#N

InChI

InChI=1S/C25H22N2O7/c1-14(2)27-23(28)17(13-26)9-15-5-7-21(22(10-15)32-4)34-25(30)19-12-16-11-18(31-3)6-8-20(16)33-24(19)29/h5-12,14H,1-4H3,(H,27,28)/b17-9+