methyl 4-[(4-nitrophenyl)amino]but-2-ynoate

Systemtic Name: methyl 4-[(4-nitrophenyl)amino]but-2-ynoate Openeye Name: methyl 4-(4-nitroanilino)but-2-ynoate CAS Name: 4-(4-nitroanilino)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(4-nitroanilino)but-2-ynoate Traditional Name: 4-(4-nitroanilino)but-2-ynoic acid methyl ester Formula: C11H10N2O4 MolecularWeight: 234.2081

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C#CCNC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C#CCNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O4/c1-17-11(14)3-2-8-12-9-4-6-10(7-5-9)13(15)16/h4-7,12H,8H2,1H3