N-[(4-carbamimidoylphenyl)methyl]-2-[4-[(3-nitrophenyl)amino]-3-oxidanylidene-morpholin-2-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-[(3-nitrophenyl)amino]-3-oxidanylidene-morpholin-2-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(3-nitroanilino)-3-oxo-morpholin-2-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(3-nitroanilino)-3-oxo-2-morpholinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[4-(3-nitroanilino)-3-oxomorpholin-2-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-keto-4-(3-nitroanilino)morpholin-2-yl]acetamide Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C(=O)N1NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1COC(C(=O)N1NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N6O5/c21-19(22)14-6-4-13(5-7-14)12-23-18(27)11-17-20(28)25(8-9-31-17)24-15-2-1-3-16(10-15)26(29)30/h1-7,10,17,24H,8-9,11-12H2,(H3,21,22)(H,23,27)