ethyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-nitro-benzoate

Systemtic Name: ethyl 4-[(5-bromanyl-2-phenylmethoxy-phenyl)methylamino]-3-nitro-benzoate Openeye Name: ethyl 4-[(2-benzyloxy-5-bromo-phenyl)methylamino]-3-nitro-benzoate CAS Name: 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 4-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-3-nitrobenzoate Traditional Name: 4-[(2-benzoxy-5-bromo-benzyl)amino]-3-nitro-benzoic acid ethyl ester Formula: C23H21BrN2O5 MolecularWeight: 485.32724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NCC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21BrN2O5/c1-2-30-23(27)17-8-10-20(21(13-17)26(28)29)25-14-18-12-19(24)9-11-22(18)31-15-16-6-4-3-5-7-16/h3-13,25H,2,14-15H2,1H3