2-[3-methyl-5-[(4-nitrophenyl)carbonylamino]pyrazol-1-yl]ethyl 4-nitrobenzoate

Systemtic Name: 2-[3-methyl-5-[(4-nitrophenyl)carbonylamino]pyrazol-1-yl]ethyl 4-nitrobenzoate Openeye Name: 2-[3-methyl-5-[(4-nitrobenzoyl)amino]pyrazol-1-yl]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[3-methyl-5-[[(4-nitrophenyl)-oxomethyl]amino]-1-pyrazolyl]ethyl ester IUPAC Name: 2-[3-methyl-5-[(4-nitrobenzoyl)amino]pyrazol-1-yl]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[3-methyl-5-[(4-nitrobenzoyl)amino]pyrazol-1-yl]ethyl ester Formula: C20H17N5O7 MolecularWeight: 439.37828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O7/c1-13-12-18(21-19(26)14-2-6-16(7-3-14)24(28)29)23(22-13)10-11-32-20(27)15-4-8-17(9-5-15)25(30)31/h2-9,12H,10-11H2,1H3,(H,21,26)