4-[(4S)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenolate

Systemtic Name: 4-[(4S)-2-azanyl-3-cyano-7-methyl-5-oxidanylidene-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenolate Openeye Name: 4-[(4S)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenolate CAS Name: 4-[(4S)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitrophenolate IUPAC Name: 4-[(4S)-2-amino-3-cyano-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitrophenolate Traditional Name: 4-[(4S)-2-amino-3-cyano-5-keto-7-methyl-4H-pyrano[3,2-c]pyran-4-yl]-2-ethoxy-6-nitro-phenolate Formula: C18H14N3O7- MolecularWeight: 384.31966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2C(=C(OC3=C2C(=O)OC(=C3)C)N)C#N

InChI

InChI=1S/C18H15N3O7/c1-3-26-13-6-9(5-11(16(13)22)21(24)25)14-10(7-19)17(20)28-12-4-8(2)27-18(23)15(12)14/h4-6,14,22H,3,20H2,1-2H3/p-1/t14-/m0/s1