[4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-3-keto-3-methoxy-prop-1-enyl]phenyl] ester Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C=C/C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H13NO6/c1-23-16(19)10-7-12-5-8-15(9-6-12)24-17(20)13-3-2-4-14(11-13)18(21)22/h2-11H,1H3/b10-7+