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

Systemtic Name: 2-[(3-chloranyl-2,4-dimethyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-oxidanyl-benzoic acid Openeye Name: 2-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-hydroxy-benzoic acid CAS Name: 2-[(3-chloro-2,4-dimethyl-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-5-hydroxybenzoic acid IUPAC Name: 2-[(3-chloro-2,4-dimethyl-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-5-hydroxybenzoic acid Traditional Name: 2-[(3-chloro-6-keto-2,4-dimethyl-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-hydroxy-benzoic acid Formula: C16H13ClN2O6 MolecularWeight: 364.73722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O6/c1-7-11(15(21)14(19(24)25)8(2)13(7)17)6-18-12-4-3-9(20)5-10(12)16(22)23/h3-6,18,20H,1-2H3,(H,22,23)