3-azanyl-N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-5-nitro-benzamide

Systemtic Name: 3-azanyl-N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-5-nitro-benzamide Openeye Name: 3-amino-N-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzamide CAS Name: 3-amino-N-[(Z)-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]methylideneamino]-5-nitrobenzamide IUPAC Name: 3-amino-N-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]-5-nitrobenzamide Traditional Name: 3-amino-N-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]-5-nitro-benzamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)C=NNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=NN2C(C)C)C)/C=N\NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H23N7O3/c1-12(2)26-19(5-6-23-26)25-13(3)7-16(14(25)4)11-22-24-20(28)15-8-17(21)10-18(9-15)27(29)30/h5-12H,21H2,1-4H3,(H,24,28)/b22-11-