2,2-bis[(2-azanyl-5-nitro-phenyl)carbonyloxymethyl]butyl 2-azanyl-5-nitro-benzoate

Systemtic Name: 2,2-bis[(2-azanyl-5-nitro-phenyl)carbonyloxymethyl]butyl 2-azanyl-5-nitro-benzoate Openeye Name: 2,2-bis[(2-amino-5-nitro-benzoyl)oxymethyl]butyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid 2,2-bis[[(2-amino-5-nitrophenyl)-oxomethoxy]methyl]butyl ester IUPAC Name: 2,2-bis[(2-amino-5-nitrobenzoyl)oxymethyl]butyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid 2,2-bis[(2-amino-5-nitro-benzoyl)oxymethyl]butyl ester Formula: C27H26N6O12 MolecularWeight: 626.52834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O12/c1-2-27(12-43-24(34)18-9-15(31(37)38)3-6-21(18)28,13-44-25(35)19-10-16(32(39)40)4-7-22(19)29)14-45-26(36)20-11-17(33(41)42)5-8-23(20)30/h3-11H,2,12-14,28-30H2,1H3