2-[[3-[(2-chlorophenyl)methyl]-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-4,6-dimethyl-phenolate

Systemtic Name: 2-[[3-[(2-chlorophenyl)methyl]-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-4,6-dimethyl-phenolate Openeye Name: 2-[[3-[(2-chlorophenyl)methyl]-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]-4,6-dimethyl-phenolate CAS Name: 2-[[3-[(2-chlorophenyl)methyl]-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]-4,6-dimethylphenolate IUPAC Name: 2-[[3-[(2-chlorophenyl)methyl]-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-4,6-dimethylphenolate Traditional Name: 2-[[3-(2-chlorobenzyl)-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene]methylamino]-4,6-dimethyl-phenolate Formula: C22H18ClN2O4- MolecularWeight: 409.84232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3Cl)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3Cl)[O-])C

InChI

InChI=1S/C22H19ClN2O4/c1-13-7-14(2)21(26)19(8-13)24-12-17-10-15(11-20(22(17)27)25(28)29)9-16-5-3-4-6-18(16)23/h3-8,10-12,24,26H,9H2,1-2H3/p-1