N'-tert-butyl-5-chloranyl-N'-(2-nitrophenyl)carbonyl-3,4-dihydro-2H-chromene-6-carbohydrazide

Systemtic Name: N'-tert-butyl-5-chloranyl-N'-(2-nitrophenyl)carbonyl-3,4-dihydro-2H-chromene-6-carbohydrazide Openeye Name: N'-tert-butyl-5-chloro-N'-(2-nitrobenzoyl)chromane-6-carbohydrazide CAS Name: N'-tert-butyl-5-chloro-N'-[(2-nitrophenyl)-oxomethyl]-3,4-dihydro-2H-1-benzopyran-6-carbohydrazide IUPAC Name: N'-tert-butyl-5-chloro-N'-(2-nitrobenzoyl)-3,4-dihydro-2H-chromene-6-carbohydrazide Traditional Name: N'-tert-butyl-5-chloro-N'-(2-nitrobenzoyl)chroman-6-carbohydrazide Formula: C21H22ClN3O5 MolecularWeight: 431.86948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=C(C=C2)OCCC3)Cl

Isomeric SMILES

CC(C)(C)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=C(C3=C(C=C2)OCCC3)Cl

InChI

InChI=1S/C21H22ClN3O5/c1-21(2,3)24(20(27)13-7-4-5-9-16(13)25(28)29)23-19(26)15-10-11-17-14(18(15)22)8-6-12-30-17/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,23,26)