3-[4-(methylamino)-3-nitro-phenyl]carbonyloxypropyl 4-(methylamino)-3-nitro-benzoate

Systemtic Name: 3-[4-(methylamino)-3-nitro-phenyl]carbonyloxypropyl 4-(methylamino)-3-nitro-benzoate Openeye Name: 3-[4-(methylamino)-3-nitro-benzoyl]oxypropyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid 3-[[4-(methylamino)-3-nitrophenyl]-oxomethoxy]propyl ester IUPAC Name: 3-[4-(methylamino)-3-nitrobenzoyl]oxypropyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid 3-[4-(methylamino)-3-nitro-benzoyl]oxypropyl ester Formula: C19H20N4O8 MolecularWeight: 432.3841

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCCCOC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCCCOC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O8/c1-20-14-6-4-12(10-16(14)22(26)27)18(24)30-8-3-9-31-19(25)13-5-7-15(21-2)17(11-13)23(28)29/h4-7,10-11,20-21H,3,8-9H2,1-2H3