4-nitrooxybutyl 2-azanyl-5-oxidanylidene-7-propan-2-yl-chromeno[2,3-b]pyridine-3-carboxylate

Systemtic Name: 4-nitrooxybutyl 2-azanyl-5-oxidanylidene-7-propan-2-yl-chromeno[2,3-b]pyridine-3-carboxylate Openeye Name: 4-nitrooxybutyl 2-amino-7-isopropyl-5-oxo-chromeno[2,3-b]pyridine-3-carboxylate CAS Name: 2-amino-5-oxo-7-propan-2-yl-3-[1]benzopyrano[2,3-b]pyridinecarboxylic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-amino-5-oxo-7-propan-2-ylchromeno[2,3-b]pyridine-3-carboxylate Traditional Name: 2-amino-7-isopropyl-5-keto-chromeno[2,3-b]pyridine-3-carboxylic acid 4-nitrooxybutyl ester Formula: C20H21N3O7 MolecularWeight: 415.39664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)OCCCCO[N+](=O)[O-])N

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)OCCCCO[N+](=O)[O-])N

InChI

InChI=1S/C20H21N3O7/c1-11(2)12-5-6-16-13(9-12)17(24)14-10-15(18(21)22-19(14)30-16)20(25)28-7-3-4-8-29-23(26)27/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,21,22)