2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanoylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanoylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-1-oxoethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]methyl]-4-nitro-phenolate Formula: C19H19N2O6- MolecularWeight: 371.36396

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-])OC

InChI

InChI=1S/C19H20N2O6/c1-3-4-13-5-8-17(18(9-13)26-2)27-12-19(23)20-11-14-10-15(21(24)25)6-7-16(14)22/h3-10,22H,11-12H2,1-2H3,(H,20,23)/p-1/b4-3+