[[2,3-bis(bromanyl)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino] 4-nitrobenzoate

Systemtic Name: [[2,3-bis(bromanyl)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]amino] 4-nitrobenzoate Openeye Name: [(2,3-dibromo-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl)amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2,3-dibromo-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl)amino] ester IUPAC Name: [(2,3-dibromo-5-methyl-4-oxocyclohexa-1,5-dien-1-yl)amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2,3-dibromo-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl)amino] ester Formula: C14H10Br2N2O5 MolecularWeight: 446.0476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(C1=O)Br)Br)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(C1=O)Br)Br)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H10Br2N2O5/c1-7-6-10(11(15)12(16)13(7)19)17-23-14(20)8-2-4-9(5-3-8)18(21)22/h2-6,12,17H,1H3