2-[[4-(butanoylamino)phenyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 2-[[4-(butanoylamino)phenyl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[4-(butanoylamino)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-nitro-6-[[4-(1-oxobutylamino)phenyl]iminomethyl]phenolate IUPAC Name: 2-[[4-(butanoylamino)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[(4-butyramidophenyl)iminomethyl]-6-nitro-phenolate Formula: C17H16N3O4- MolecularWeight: 326.32664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)N=CC2=C(C(=CC=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H17N3O4/c1-2-4-16(21)19-14-9-7-13(8-10-14)18-11-12-5-3-6-15(17(12)22)20(23)24/h3,5-11,22H,2,4H2,1H3,(H,19,21)/p-1