2-[(2S)-4-[(4-hydroxyphenyl)methyl]-7-nitro-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanamide

Systemtic Name: 2-[(2S)-4-[(4-hydroxyphenyl)methyl]-7-nitro-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanamide Openeye Name: 2-[(2S)-4-[(4-hydroxyphenyl)methyl]-7-nitro-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetamide CAS Name: 2-[(2S)-4-[(4-hydroxyphenyl)methyl]-7-nitro-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetamide IUPAC Name: 2-[(2S)-4-[(4-hydroxyphenyl)methyl]-7-nitro-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetamide Traditional Name: 2-[(2S)-4-(4-hydroxybenzyl)-3-keto-7-nitro-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetamide Formula: C18H18N4O5 MolecularWeight: 370.35932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])NC(C(=O)N1CC3=CC=C(C=C3)O)CC(=O)N

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])N[C@H](C(=O)N1CC3=CC=C(C=C3)O)CC(=O)N

InChI

InChI=1S/C18H18N4O5/c19-17(24)8-16-18(25)21(9-11-1-4-14(23)5-2-11)10-12-7-13(22(26)27)3-6-15(12)20-16/h1-7,16,20,23H,8-10H2,(H2,19,24)/t16-/m0/s1