5-[(4R)-2-azanyl-7,7-dimethyl-3-nitro-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile

Systemtic Name: 5-[(4R)-2-azanyl-7,7-dimethyl-3-nitro-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile Openeye Name: 5-[(4R)-2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile CAS Name: 5-[(4R)-2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl]-2-thiophenecarbonitrile IUPAC Name: 5-[(4R)-2-amino-7,7-dimethyl-3-nitro-5-oxo-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile Traditional Name: 5-[(4R)-2-amino-5-keto-7,7-dimethyl-3-nitro-6,8-dihydro-4H-chromen-4-yl]thiophene-2-carbonitrile Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)[N+](=O)[O-])C3=CC=C(S3)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C([C@H](C(=C(O2)N)[N+](=O)[O-])C3=CC=C(S3)C#N)C(=O)C1)C

InChI

InChI=1S/C16H15N3O4S/c1-16(2)5-9(20)12-10(6-16)23-15(18)14(19(21)22)13(12)11-4-3-8(7-17)24-11/h3-4,13H,5-6,18H2,1-2H3/t13-/m1/s1