ethyl 4-[(2,2-dimethyl-7-nitro-3-oxidanyl-chromen-4-yl)amino]butanoate

Systemtic Name: ethyl 4-[(2,2-dimethyl-7-nitro-3-oxidanyl-chromen-4-yl)amino]butanoate Openeye Name: ethyl 4-[(3-hydroxy-2,2-dimethyl-7-nitro-chromen-4-yl)amino]butanoate CAS Name: 4-[(3-hydroxy-2,2-dimethyl-7-nitro-1-benzopyran-4-yl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(3-hydroxy-2,2-dimethyl-7-nitrochromen-4-yl)amino]butanoate Traditional Name: 4-[(3-hydroxy-2,2-dimethyl-7-nitro-chromen-4-yl)amino]butyric acid ethyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=C(C(OC2=C1C=CC(=C2)[N+](=O)[O-])(C)C)O

Isomeric SMILES

CCOC(=O)CCCNC1=C(C(OC2=C1C=CC(=C2)[N+](=O)[O-])(C)C)O

InChI

InChI=1S/C17H22N2O6/c1-4-24-14(20)6-5-9-18-15-12-8-7-11(19(22)23)10-13(12)25-17(2,3)16(15)21/h7-8,10,18,21H,4-6,9H2,1-3H3