ethyl (E)-3-[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3-nitro-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3-nitro-phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-nitrophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(E)-3-ethoxy-3-keto-prop-1-enyl]-3-nitro-phenyl]acrylic acid ethyl ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C(C=C1)C=CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1)/C=C/C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO6/c1-3-22-15(18)9-6-12-5-7-13(14(11-12)17(20)21)8-10-16(19)23-4-2/h5-11H,3-4H2,1-2H3/b9-6+,10-8+