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

Systemtic Name: 2-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid Openeye Name: 2-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid CAS Name: 2-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzoic acid IUPAC Name: 2-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid Traditional Name: 2-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]benzoic acid Formula: C14H9BrN2O5 MolecularWeight: 365.13566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC=C2C=C(C=C(C2=O)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC=C2C=C(C=C(C2=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H9BrN2O5/c15-11-6-9(17(21)22)5-8(13(11)18)7-16-12-4-2-1-3-10(12)14(19)20/h1-7,16H,(H,19,20)