propan-2-yl 1-ethyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[(E)-3-(3-nitrophenyl)acryloyl]amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O5/c1-4-21-11-15(17(20-21)18(24)27-12(2)3)19-16(23)9-8-13-6-5-7-14(10-13)22(25)26/h5-12H,4H2,1-3H3,(H,19,23)/b9-8+