(2S)-4-(3-azanylpropyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-4-(3-azanylpropyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one Openeye Name: (2S)-4-(3-aminopropyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one CAS Name: (2S)-4-(3-aminopropyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-4-(3-aminopropyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-(3-aminopropyl)-6-nitro-2-phenyl-1,4-benzoxazin-3-one Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=O)N(C3=C(O2)C=CC(=C3)[N+](=O)[O-])CCCN

InChI

InChI=1S/C17H17N3O4/c18-9-4-10-19-14-11-13(20(22)23)7-8-15(14)24-16(17(19)21)12-5-2-1-3-6-12/h1-3,5-8,11,16H,4,9-10,18H2/t16-/m0/s1