methyl 2-[(4-bromophenyl)methylamino]-3-nitro-benzoate

Systemtic Name: methyl 2-[(4-bromophenyl)methylamino]-3-nitro-benzoate Openeye Name: methyl 2-[(4-bromophenyl)methylamino]-3-nitro-benzoate CAS Name: 2-[(4-bromophenyl)methylamino]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-bromophenyl)methylamino]-3-nitrobenzoate Traditional Name: 2-[(4-bromobenzyl)amino]-3-nitro-benzoic acid methyl ester Formula: C15H13BrN2O4 MolecularWeight: 365.17872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])NCC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H13BrN2O4/c1-22-15(19)12-3-2-4-13(18(20)21)14(12)17-9-10-5-7-11(16)8-6-10/h2-8,17H,9H2,1H3