5,7-dinitro-4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 5,7-dinitro-4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazine Openeye Name: 4-benzyl-5,7-dinitro-2,3-dihydro-1,4-benzoxazine CAS Name: 5,7-dinitro-4-(phenylmethyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 4-benzyl-5,7-dinitro-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-benzyl-5,7-dinitro-2,3-dihydro-1,4-benzoxazine Formula: C15H13N3O5 MolecularWeight: 315.28082

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC(=CC(=C2N1CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COC2=CC(=CC(=C2N1CC3=CC=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5/c19-17(20)12-8-13(18(21)22)15-14(9-12)23-7-6-16(15)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2