propan-2-yl 1-ethyl-4-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]pyrazole-3-carboxylate

Systemtic Name: propan-2-yl 1-ethyl-4-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]pyrazole-3-carboxylate Openeye Name: isopropyl 1-ethyl-4-[[(E)-3-(5-nitro-2-furyl)prop-2-enoyl]amino]pyrazole-3-carboxylate CAS Name: 1-ethyl-4-[[(E)-3-(5-nitro-2-furanyl)-1-oxoprop-2-enyl]amino]-3-pyrazolecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-ethyl-4-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]amino]pyrazole-3-carboxylate Traditional Name: 1-ethyl-4-[[(E)-3-(5-nitro-2-furyl)acryloyl]amino]pyrazole-3-carboxylic acid isopropyl ester Formula: C16H18N4O6 MolecularWeight: 362.33732

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)OC(C)C)NC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6/c1-4-19-9-12(15(18-19)16(22)25-10(2)3)17-13(21)7-5-11-6-8-14(26-11)20(23)24/h5-10H,4H2,1-3H3,(H,17,21)/b7-5+