[4-[2-[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate

Systemtic Name: [4-[2-[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[2-[4-(3-nitroanilino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [4-[2-[4-(3-nitroanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(3-nitroanilino)-4-oxobutanoyl]oxyacetyl]phenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[2-[4-keto-4-(3-nitroanilino)butanoyl]oxyacetyl]phenyl] ester Formula: C25H19BrN2O8 MolecularWeight: 555.33096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C25H19BrN2O8/c26-18-8-4-17(5-9-18)25(32)36-21-10-6-16(7-11-21)22(29)15-35-24(31)13-12-23(30)27-19-2-1-3-20(14-19)28(33)34/h1-11,14H,12-13,15H2,(H,27,30)