[4-[(4-bromophenyl)iminomethyl]-2-nitro-phenyl] 3-methylbenzoate

Systemtic Name: [4-[(4-bromophenyl)iminomethyl]-2-nitro-phenyl] 3-methylbenzoate Openeye Name: [4-[(4-bromophenyl)iminomethyl]-2-nitro-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(4-bromophenyl)iminomethyl]-2-nitrophenyl] ester IUPAC Name: [4-[(4-bromophenyl)iminomethyl]-2-nitrophenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(4-bromophenyl)iminomethyl]-2-nitro-phenyl] ester Formula: C21H15BrN2O4 MolecularWeight: 439.2588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN2O4/c1-14-3-2-4-16(11-14)21(25)28-20-10-5-15(12-19(20)24(26)27)13-23-18-8-6-17(22)7-9-18/h2-13H,1H3