2-methoxyethyl (4S)-2-azanyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-2-azanyl-7,7-dimethyl-4-(2-nitrophenyl)-5-oxidanylidene-6,8-dihydro-4H-chromene-3-carboxylate Openeye Name: 2-methoxyethyl (4S)-2-amino-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate CAS Name: (4S)-2-amino-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-6,8-dihydro-4H-1-benzopyran-3-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-2-amino-7,7-dimethyl-4-(2-nitrophenyl)-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate Traditional Name: (4S)-2-amino-5-keto-7,7-dimethyl-4-(2-nitrophenyl)-6,8-dihydro-4H-chromene-3-carboxylic acid 2-methoxyethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-21(2)10-14(24)17-15(11-21)30-19(22)18(20(25)29-9-8-28-3)16(17)12-6-4-5-7-13(12)23(26)27/h4-7,16H,8-11,22H2,1-3H3/t16-/m0/s1