methyl 3-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[(E)-3-(4-nitrophenyl)-3-oxidanylidene-prop-1-enyl]azulene-1-carboxylate Openeye Name: methyl 3-[(E)-3-(4-nitrophenyl)-3-oxo-prop-1-enyl]azulene-1-carboxylate CAS Name: 3-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(4-nitrophenyl)-3-oxoprop-1-enyl]azulene-1-carboxylate Traditional Name: 3-[(E)-3-keto-3-(4-nitrophenyl)prop-1-enyl]azulene-1-carboxylic acid methyl ester Formula: C21H15NO5 MolecularWeight: 361.3475

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C=CC=CC=C2C(=C1)C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C2C=CC=CC=C2C(=C1)/C=C/C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15NO5/c1-27-21(24)19-13-15(17-5-3-2-4-6-18(17)19)9-12-20(23)14-7-10-16(11-8-14)22(25)26/h2-13H,1H3/b12-9+