ethyl (4S)-2-azanyl-4-[(1R)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-6-nitro-4H-chromene-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-[(1R)-1-cyano-2-ethoxy-2-oxidanylidene-ethyl]-6-nitro-4H-chromene-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-[(1R)-1-cyano-2-ethoxy-2-oxo-ethyl]-6-nitro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-6-nitro-4H-1-benzopyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-[(1R)-1-cyano-2-ethoxy-2-oxoethyl]-6-nitro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-4-[(1R)-1-cyano-2-ethoxy-2-keto-ethyl]-6-nitro-4H-chromene-3-carboxylic acid ethyl ester Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(OC2=C([C@@H]1[C@H](C#N)C(=O)OCC)C=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C17H17N3O7/c1-3-25-16(21)11(8-18)13-10-7-9(20(23)24)5-6-12(10)27-15(19)14(13)17(22)26-4-2/h5-7,11,13H,3-4,19H2,1-2H3/t11-,13+/m0/s1