[1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl] (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [1-oxo-1-[(2-propan-2-yl-3-pyrazolyl)amino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H19ClN4O5 MolecularWeight: 406.82026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)C(C)OC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O5/c1-11(2)22-16(8-9-20-22)21-18(25)12(3)28-17(24)7-5-13-4-6-14(19)15(10-13)23(26)27/h4-12H,1-3H3,(H,21,25)/b7-5+