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(E)-2-cyano-3-[(5-ethoxy-2-methoxycarbonyl-4-nitro-phenyl)amino]prop-2-enoic acid

(E)-2-cyano-3-[(5-ethoxy-2-methoxycarbonyl-4-nitro-phenyl)amino]prop-2-enoic acid

Systemtic Name:(E)-2-cyano-3-[(5-ethoxy-2-methoxycarbonyl-4-nitro-phenyl)amino]prop-2-enoic acid
Openeye Name:(E)-2-cyano-3-(5-ethoxy-2-methoxycarbonyl-4-nitro-anilino)prop-2-enoic acid
CAS Name:(E)-2-cyano-3-(5-ethoxy-2-methoxycarbonyl-4-nitroanilino)-2-propenoic acid
IUPAC Name:(E)-2-cyano-3-(5-ethoxy-2-methoxycarbonyl-4-nitroanilino)prop-2-enoic acid
Traditional Name:(E)-3-(2-carbomethoxy-5-ethoxy-4-nitro-anilino)-2-cyano-acrylic acid
Formula: C14H13N3O7
MolecularWeight: 335.26892
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)NC=C(C#N)C(=O)O)C(=O)OC)[N+](=O)[O-]


Isomeric SMILES

CCOC1=C(C=C(C(=C1)N/C=C(\C#N)/C(=O)O)C(=O)OC)[N+](=O)[O-]


InChI

InChI=1S/C14H13N3O7/c1-3-24-12-5-10(16-7-8(6-15)13(18)19)9(14(20)23-2)4-11(12)17(21)22/h4-5,7,16H,3H2,1-2H3,(H,18,19)/b8-7+


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