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3-[(5-methoxy-2,4-dinitro-phenyl)amino]-3-oxidanylidene-propanoic acid

3-[(5-methoxy-2,4-dinitro-phenyl)amino]-3-oxidanylidene-propanoic acid

Systemtic Name:3-[(5-methoxy-2,4-dinitro-phenyl)amino]-3-oxidanylidene-propanoic acid
Openeye Name:3-(5-methoxy-2,4-dinitro-anilino)-3-oxo-propanoic acid
CAS Name:3-(5-methoxy-2,4-dinitroanilino)-3-oxopropanoic acid
IUPAC Name:3-(5-methoxy-2,4-dinitroanilino)-3-oxopropanoic acid
Traditional Name:3-keto-3-(5-methoxy-2,4-dinitro-anilino)propionic acid
Formula: C10H9N3O8
MolecularWeight: 299.19376
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)NC(=O)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

COC1=C(C=C(C(=C1)NC(=O)CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C10H9N3O8/c1-21-8-2-5(11-9(14)4-10(15)16)6(12(17)18)3-7(8)13(19)20/h2-3H,4H2,1H3,(H,11,14)(H,15,16)


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