2-(3-chloranyl-2-methyl-phenyl)-4-[(E)-(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(3-chloranyl-2-methyl-phenyl)-4-[(E)-(3-ethoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(3-chloro-2-methyl-phenyl)-4-[(E)-(3-ethoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-(3-chloro-2-methylphenyl)-4-[(E)-(3-ethoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(3-chloro-2-methylphenyl)-4-[(E)-(3-ethoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(3-chloro-2-methyl-phenyl)-4-[(E)-(3-ethoxy-4-keto-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-pyrazolin-3-one Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=C(NN(C2=O)C3=C(C(=CC=C3)Cl)C)C)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C/C(=C/C2=C(NN(C2=O)C3=C(C(=CC=C3)Cl)C)C)/C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN3O5/c1-4-29-18-10-13(9-17(19(18)25)24(27)28)8-14-12(3)22-23(20(14)26)16-7-5-6-15(21)11(16)2/h5-10,22H,4H2,1-3H3/b13-8+