4-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-naphthalen-2-yl-1H-pyrazol-3-one

Systemtic Name: 4-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-naphthalen-2-yl-1H-pyrazol-3-one Openeye Name: 4-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(2-naphthyl)-1H-pyrazol-3-one CAS Name: 4-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-2-(2-naphthalenyl)-1H-pyrazol-3-one IUPAC Name: 4-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-naphthalen-2-yl-1H-pyrazol-3-one Traditional Name: 4-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-2-(2-naphthyl)-3-pyrazolin-3-one Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC3=CC=CC=C3C=C2)C=C4C=C(C(=O)C(=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC3=CC=CC=C3C=C2)C=C4C=C(C(=O)C(=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5/c1-13-18(9-14-10-19(25(28)29)21(26)20(11-14)30-2)22(27)24(23-13)17-8-7-15-5-3-4-6-16(15)12-17/h3-12,23H,1-2H3