[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 5-azanyl-2-oxidanyl-benzoate

Systemtic Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 5-azanyl-2-oxidanyl-benzoate Openeye Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl] 5-amino-2-hydroxy-benzoate CAS Name: 5-amino-2-hydroxybenzoic acid [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 5-amino-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-benzoic acid [4-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H22N2O9 MolecularWeight: 446.40738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCCO[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)N)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)N)O

InChI

InChI=1S/C21H22N2O9/c1-29-19-12-14(5-9-20(25)30-10-2-3-11-31-23(27)28)4-8-18(19)32-21(26)16-13-15(22)6-7-17(16)24/h4-9,12-13,24H,2-3,10-11,22H2,1H3/b9-5+