3-methylbutyl (E)-3-[4-[(E)-3-(3-methylbutoxy)-3-oxidanylidene-prop-1-enyl]-3-nitro-phenyl]prop-2-enoate

Systemtic Name: 3-methylbutyl (E)-3-[4-[(E)-3-(3-methylbutoxy)-3-oxidanylidene-prop-1-enyl]-3-nitro-phenyl]prop-2-enoate Openeye Name: isopentyl (E)-3-[4-[(E)-3-isopentyloxy-3-oxo-prop-1-enyl]-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(E)-3-(3-methylbutoxy)-3-oxoprop-1-enyl]-3-nitrophenyl]-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (E)-3-[4-[(E)-3-(3-methylbutoxy)-3-oxoprop-1-enyl]-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(E)-3-isoamoxy-3-keto-prop-1-enyl]-3-nitro-phenyl]acrylic acid isoamyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C=CC1=CC(=C(C=C1)C=CC(=O)OCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)/C=C/C1=CC(=C(C=C1)/C=C/C(=O)OCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H29NO6/c1-16(2)11-13-28-21(24)9-6-18-5-7-19(20(15-18)23(26)27)8-10-22(25)29-14-12-17(3)4/h5-10,15-17H,11-14H2,1-4H3/b9-6+,10-8+