[2-ethyl-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate

Systemtic Name: [2-ethyl-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate Openeye Name: [2-ethyl-4-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl] 2-(6-methoxy-2-naphthyl)propanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)propanoic acid [2-ethyl-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-ethyl-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-(6-methoxynaphthalen-2-yl)propanoate Traditional Name: 2-(6-methoxy-2-naphthyl)propionic acid [2-ethyl-4-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]phenyl] ester Formula: C29H31NO8 MolecularWeight: 521.55834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C=CC(=O)OCCCCO[N+](=O)[O-])OC(=O)C(C)C2=CC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CCC1=C(C=CC(=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC(=O)C(C)C2=CC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C29H31NO8/c1-4-22-17-21(8-14-28(31)36-15-5-6-16-37-30(33)34)7-13-27(22)38-29(32)20(2)23-9-10-25-19-26(35-3)12-11-24(25)18-23/h7-14,17-20H,4-6,15-16H2,1-3H3/b14-8+