(1S)-2-(1,3-benzoxazol-2-ylamino)-1-(4-nitrophenyl)ethanol

Systemtic Name: (1S)-2-(1,3-benzoxazol-2-ylamino)-1-(4-nitrophenyl)ethanol Openeye Name: (1S)-2-(1,3-benzoxazol-2-ylamino)-1-(4-nitrophenyl)ethanol CAS Name: (1S)-2-(1,3-benzoxazol-2-ylamino)-1-(4-nitrophenyl)ethanol IUPAC Name: (1S)-2-(1,3-benzoxazol-2-ylamino)-1-(4-nitrophenyl)ethanol Traditional Name: (1S)-2-(1,3-benzoxazol-2-ylamino)-1-(4-nitrophenyl)ethanol Formula: C15H13N3O4 MolecularWeight: 299.28142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)NCC(C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)NC[C@H](C3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H13N3O4/c19-13(10-5-7-11(8-6-10)18(20)21)9-16-15-17-12-3-1-2-4-14(12)22-15/h1-8,13,19H,9H2,(H,16,17)/t13-/m1/s1