N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(3-ethynylanilino)-2-oxo-ethyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(3-ethynylanilino)-2-keto-ethyl]-4-methoxy-3-nitro-benzamide Formula: C18H15N3O5 MolecularWeight: 353.3288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)NC2=CC=CC(=C2)C#C)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5/c1-3-12-5-4-6-14(9-12)20-17(22)11-19-18(23)13-7-8-16(26-2)15(10-13)21(24)25/h1,4-10H,11H2,2H3,(H,19,23)(H,20,22)