4-chloranyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethyl]-3-nitro-benzamide Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O4/c1-24(12-14-10-23-25(13-14)16-5-3-2-4-6-16)19(27)11-22-20(28)15-7-8-17(21)18(9-15)26(29)30/h2-10,13H,11-12H2,1H3,(H,22,28)