methyl (E)-2-acetamido-3-(3-methoxy-4,6-dinitro-2-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-acetamido-3-(3-methoxy-4,6-dinitro-2-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: methyl (E)-2-acetamido-3-(2-benzyloxy-3-methoxy-4,6-dinitro-phenyl)prop-2-enoate CAS Name: (E)-2-acetamido-3-(3-methoxy-4,6-dinitro-2-phenylmethoxyphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-acetamido-3-(3-methoxy-4,6-dinitro-2-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-acetamido-3-(2-benzoxy-3-methoxy-4,6-dinitro-phenyl)acrylic acid methyl ester Formula: C20H19N3O9 MolecularWeight: 445.37956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(=O)N/C(=C/C1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC)OCC2=CC=CC=C2)/C(=O)OC

InChI

InChI=1S/C20H19N3O9/c1-12(24)21-15(20(25)31-3)9-14-16(22(26)27)10-17(23(28)29)19(30-2)18(14)32-11-13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,21,24)/b15-9+