4-[(Z)-(9-methyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-(9-methyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(9-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-(9-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(9-methyl-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(5-keto-9-methyl-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-nitro-phenolate Formula: C18H14NO5- MolecularWeight: 324.30746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCC(=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C2=O

Isomeric SMILES

CC1=CC=CC2=C1OCC/C(=C/C3=CC(=C(C=C3)[O-])[N+](=O)[O-])/C2=O

InChI

InChI=1S/C18H15NO5/c1-11-3-2-4-14-17(21)13(7-8-24-18(11)14)9-12-5-6-16(20)15(10-12)19(22)23/h2-6,9-10,20H,7-8H2,1H3/p-1/b13-9-