[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C16H13Br2N3O5 MolecularWeight: 487.09952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Br2N3O5/c1-8-4-10(17)15(11(18)5-8)20-14(22)7-26-16(23)9-2-3-12(19)13(6-9)21(24)25/h2-6H,7,19H2,1H3,(H,20,22)