ethyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(C)CC2=CN(N=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-3-30-21(27)17-9-16(10-19(11-17)25(28)29)20(26)23(2)13-15-12-22-24(14-15)18-7-5-4-6-8-18/h4-12,14H,3,13H2,1-2H3