3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 3-methyl-N-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: 3-methyl-N-[5-[(3-nitrophenyl)methyl]-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 1-keto-3-methyl-N-[5-(3-nitrobenzyl)thiazol-2-yl]isochroman-3-carboxamide Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c1-21(11-14-6-2-3-8-17(14)18(25)29-21)19(26)23-20-22-12-16(30-20)10-13-5-4-7-15(9-13)24(27)28/h2-9,12H,10-11H2,1H3,(H,22,23,26)