3-benzamido-2-ethyl-4-nitro-benzoate

Systemtic Name: 3-benzamido-2-ethyl-4-nitro-benzoate Openeye Name: 3-benzamido-2-ethyl-4-nitro-benzoate CAS Name: 3-benzamido-2-ethyl-4-nitrobenzoate IUPAC Name: 3-benzamido-2-ethyl-4-nitrobenzoate Traditional Name: 3-benzamido-2-ethyl-4-nitro-benzoate Formula: C16H13N2O5- MolecularWeight: 313.28482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1NC(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC1=C(C=CC(=C1NC(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H14N2O5/c1-2-11-12(16(20)21)8-9-13(18(22)23)14(11)17-15(19)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H,17,19)(H,20,21)/p-1