ethyl (E)-3-[(2-azanyl-5-nitro-phenyl)amino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(2-azanyl-5-nitro-phenyl)amino]but-2-enoate Openeye Name: ethyl (E)-3-(2-amino-5-nitro-anilino)but-2-enoate CAS Name: (E)-3-(2-amino-5-nitroanilino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-amino-5-nitroanilino)but-2-enoate Traditional Name: (E)-3-(2-amino-5-nitro-anilino)but-2-enoic acid ethyl ester Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=C(C=CC(=C1)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC1=C(C=CC(=C1)[N+](=O)[O-])N

InChI

InChI=1S/C12H15N3O4/c1-3-19-12(16)6-8(2)14-11-7-9(15(17)18)4-5-10(11)13/h4-7,14H,3,13H2,1-2H3/b8-6+