N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-])CC2OC(=C1)O

InChI

InChI=1S/C21H20N4O6/c1-13-10-20(26)31-19-11-14(6-7-15(13)19)22-21(27)16-8-9-24(23-16)12-30-18-5-3-2-4-17(18)25(28)29/h2-5,8-10,19,26H,6-7,11-12H2,1H3