methyl 5-azanyl-1-[3-nitro-4-(propylamino)phenyl]carbonyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[3-nitro-4-(propylamino)phenyl]carbonyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[3-nitro-4-(propylamino)benzoyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[[3-nitro-4-(propylamino)phenyl]-oxomethyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[3-nitro-4-(propylamino)benzoyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[3-nitro-4-(propylamino)benzoyl]pyrazole-4-carboxylic acid methyl ester Formula: C15H17N5O5 MolecularWeight: 347.32598

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C(=O)OC)N)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)C(=O)N2C(=C(C=N2)C(=O)OC)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O5/c1-3-6-17-11-5-4-9(7-12(11)20(23)24)14(21)19-13(16)10(8-18-19)15(22)25-2/h4-5,7-8,17H,3,6,16H2,1-2H3