3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-5-nitro-benzoic acid; 3-methylpyridine

Systemtic Name: 3-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-5-nitro-benzoic acid; 3-methylpyridine Openeye Name: 3-[(3-methoxy-3-oxo-propanoyl)amino]-5-nitro-benzoic acid; 3-methylpyridine CAS Name: 3-[(3-methoxy-1,3-dioxopropyl)amino]-5-nitrobenzoic acid; 3-methylpyridine IUPAC Name: 3-[(3-methoxy-3-oxopropanoyl)amino]-5-nitrobenzoic acid; 3-methylpyridine Traditional Name: $b-picoline; 3-[(3-keto-3-methoxy-propanoyl)amino]-5-nitro-benzoic acid Formula: C17H17N3O7 MolecularWeight: 375.33278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CC=C1.COC(=O)CC(=O)NC1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CN=CC=C1.COC(=O)CC(=O)NC1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H10N2O7.C6H7N/c1-20-10(15)5-9(14)12-7-2-6(11(16)17)3-8(4-7)13(18)19;1-6-3-2-4-7-5-6/h2-4H,5H2,1H3,(H,12,14)(H,16,17);2-5H,1H3