[2-methoxy-4-[(E)-[5-(4-methylphenyl)-2-oxidanylidene-furan-3-ylidene]methyl]-6-nitro-phenyl] ethanoate

Systemtic Name: [2-methoxy-4-[(E)-[5-(4-methylphenyl)-2-oxidanylidene-furan-3-ylidene]methyl]-6-nitro-phenyl] ethanoate Openeye Name: [2-methoxy-6-nitro-4-[(E)-[2-oxo-5-(p-tolyl)-3-furylidene]methyl]phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[(E)-[5-(4-methylphenyl)-2-oxo-3-furanylidene]methyl]-6-nitrophenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]-6-nitrophenyl] acetate Traditional Name: acetic acid [4-[(E)-[2-keto-5-(p-tolyl)-3-furylidene]methyl]-2-methoxy-6-nitro-phenyl] ester Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC3=CC(=C(C(=C3)OC)OC(=O)C)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

CC1=CC=C(C=C1)C2=C/C(=C\C3=CC(=C(C(=C3)OC)OC(=O)C)[N+](=O)[O-])/C(=O)O2

InChI

InChI=1S/C21H17NO7/c1-12-4-6-15(7-5-12)18-11-16(21(24)29-18)8-14-9-17(22(25)26)20(28-13(2)23)19(10-14)27-3/h4-11H,1-3H3/b16-8+