3-[(3-chloranyl-2,4-dimethyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate

Systemtic Name: 3-[(3-chloranyl-2,4-dimethyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Openeye Name: 3-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate CAS Name: 3-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoate IUPAC Name: 3-[(3-chloro-2,4-dimethyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Traditional Name: 3-[(3-chloro-6-keto-2,4-dimethyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoate Formula: C16H12ClN2O5- MolecularWeight: 347.72988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=O)C1=CNC2=CC=CC(=C2)C(=O)[O-])[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=C(C(=O)C1=CNC2=CC=CC(=C2)C(=O)[O-])[N+](=O)[O-])C)Cl

InChI

InChI=1S/C16H13ClN2O5/c1-8-12(15(20)14(19(23)24)9(2)13(8)17)7-18-11-5-3-4-10(6-11)16(21)22/h3-7,18H,1-2H3,(H,21,22)/p-1