2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)benzamide

Systemtic Name: 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)benzamide Openeye Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-2-[(5-methyl-3-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]benzamide Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=CC=C2C(=O)N=C3CCC4=C(C=C(OC4C3)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=CC=C2C(=O)N=C3CCC4=C(C=C(OC4C3)O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-13-9-21(27)31-19-11-16(7-8-17(13)19)23-22(28)18-6-4-3-5-15(18)12-25-14(2)10-20(24-25)26(29)30/h3-6,9-10,19,27H,7-8,11-12H2,1-2H3