(8-azido-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl benzoate

Systemtic Name: (8-azido-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl benzoate Openeye Name: (8-azido-2,2,4,4-tetramethyl-chroman-6-yl)carbamoyl benzoate CAS Name: benzoic acid [[(8-azido-2,2,4,4-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-yl)amino]-oxomethyl] ester IUPAC Name: (8-azido-2,2,4,4-tetramethyl-3H-chromen-6-yl)carbamoyl benzoate Traditional Name: benzoic acid (8-azido-2,2,4,4-tetramethyl-chroman-6-yl)carbamoyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(OC2=C(C=C(C=C21)NC(=O)OC(=O)C3=CC=CC=C3)N=[N+]=[N-])(C)C)C

Isomeric SMILES

CC1(CC(OC2=C(C=C(C=C21)NC(=O)OC(=O)C3=CC=CC=C3)N=[N+]=[N-])(C)C)C

InChI

InChI=1S/C21H22N4O4/c1-20(2)12-21(3,4)29-17-15(20)10-14(11-16(17)24-25-22)23-19(27)28-18(26)13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,23,27)