[4-[(4-azanyl-3-nitro-phenyl)carbonyloxymethyl]phenyl]methyl 4-azanyl-3-nitro-benzoate

Systemtic Name: [4-[(4-azanyl-3-nitro-phenyl)carbonyloxymethyl]phenyl]methyl 4-azanyl-3-nitro-benzoate Openeye Name: [4-[(4-amino-3-nitro-benzoyl)oxymethyl]phenyl]methyl 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [4-[[(4-amino-3-nitrophenyl)-oxomethoxy]methyl]phenyl]methyl ester IUPAC Name: [4-[(4-amino-3-nitrobenzoyl)oxymethyl]phenyl]methyl 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [4-[(4-amino-3-nitro-benzoyl)oxymethyl]benzyl] ester Formula: C22H18N4O8 MolecularWeight: 466.40032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])COC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O8/c23-17-7-5-15(9-19(17)25(29)30)21(27)33-11-13-1-2-14(4-3-13)12-34-22(28)16-6-8-18(24)20(10-16)26(31)32/h1-10H,11-12,23-24H2