6-nitro-3-phenethyl-1,3-benzoxazine-2,4-dione

Systemtic Name: 6-nitro-3-phenethyl-1,3-benzoxazine-2,4-dione Openeye Name: 6-nitro-3-phenethyl-1,3-benzoxazine-2,4-dione CAS Name: 6-nitro-3-phenethyl-1,3-benzoxazine-2,4-dione IUPAC Name: 6-nitro-3-phenethyl-1,3-benzoxazine-2,4-dione Traditional Name: 6-nitro-3-phenethyl-1,3-benzoxazine-2,4-quinone Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H12N2O5/c19-15-13-10-12(18(21)22)6-7-14(13)23-16(20)17(15)9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2