methyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]azulene-1-carboxylate

Systemtic Name: methyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]azulene-1-carboxylate Openeye Name: methyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]azulene-1-carboxylate CAS Name: 3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-1-azulenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]azulene-1-carboxylate Traditional Name: 3-[(E)-3-(4-nitrophenyl)acryloyl]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(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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