[4-[(E)-morpholin-4-yliminomethyl]phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(E)-morpholin-4-yliminomethyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-morpholinoiminomethyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(E)-4-morpholinyliminomethyl]phenyl] ester IUPAC Name: [4-[(E)-morpholin-4-yliminomethyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-morpholinoiminomethyl]phenyl] ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1N=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c22-18(15-2-1-3-16(12-15)21(23)24)26-17-6-4-14(5-7-17)13-19-20-8-10-25-11-9-20/h1-7,12-13H,8-11H2/b19-13+