[2-[2-azanyl-3-(4-nitrophenyl)-3-oxidanylidene-propyl]phenyl]methyl 4-nitrobenzoate

Systemtic Name: [2-[2-azanyl-3-(4-nitrophenyl)-3-oxidanylidene-propyl]phenyl]methyl 4-nitrobenzoate Openeye Name: [2-[2-amino-3-(4-nitrophenyl)-3-oxo-propyl]phenyl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[2-amino-3-(4-nitrophenyl)-3-oxopropyl]phenyl]methyl ester IUPAC Name: [2-[2-amino-3-(4-nitrophenyl)-3-oxopropyl]phenyl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[2-amino-3-keto-3-(4-nitrophenyl)propyl]benzyl] ester Formula: C23H19N3O7 MolecularWeight: 449.41286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O7/c24-21(22(27)15-5-9-19(10-6-15)25(29)30)13-17-3-1-2-4-18(17)14-33-23(28)16-7-11-20(12-8-16)26(31)32/h1-12,21H,13-14,24H2