N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-[1-(3,4-dichlorobenzyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propionamide Formula: C16H14Cl2N6O3 MolecularWeight: 409.22676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CN2C=C(C=N2)NC(=O)CCN3C=CC(=N3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H14Cl2N6O3/c17-13-2-1-11(7-14(13)18)9-23-10-12(8-19-23)20-16(25)4-6-22-5-3-15(21-22)24(26)27/h1-3,5,7-8,10H,4,6,9H2,(H,20,25)