N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(4S)-chroman-4-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[(4S)-chroman-4-yl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H19N3O6/c24-19(21-15-9-11-28-17-5-2-1-4-14(15)17)6-3-10-22-16-8-7-13(23(26)27)12-18(16)29-20(22)25/h1-2,4-5,7-8,12,15H,3,6,9-11H2,(H,21,24)/t15-/m0/s1