2-[1,3-dimethyl-2-(3-nitrophenyl)carbonyl-5-oxidanylidene-pyrazol-4-yl]ethyl 3-nitrobenzoate

Systemtic Name: 2-[1,3-dimethyl-2-(3-nitrophenyl)carbonyl-5-oxidanylidene-pyrazol-4-yl]ethyl 3-nitrobenzoate Openeye Name: 2-[1,3-dimethyl-2-(3-nitrobenzoyl)-5-oxo-pyrazol-4-yl]ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-[1,3-dimethyl-2-[(3-nitrophenyl)-oxomethyl]-5-oxo-4-pyrazolyl]ethyl ester IUPAC Name: 2-[1,3-dimethyl-2-(3-nitrobenzoyl)-5-oxopyrazol-4-yl]ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-[5-keto-1,3-dimethyl-2-(3-nitrobenzoyl)-3-pyrazolin-4-yl]ethyl ester Formula: C21H18N4O8 MolecularWeight: 454.38962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C)CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O8/c1-13-18(9-10-33-21(28)15-6-4-8-17(12-15)25(31)32)20(27)22(2)23(13)19(26)14-5-3-7-16(11-14)24(29)30/h3-8,11-12H,9-10H2,1-2H3