5-(4-ethylphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyrazolidine-3-carboxamide hydrate

Systemtic Name: 5-(4-ethylphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyrazolidine-3-carboxamide hydrate Openeye Name: 5-(4-ethylphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyrazolidine-3-carboxamide hydrate CAS Name: 5-(4-ethylphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]-3-pyrazolidinecarboxamide hydrate IUPAC Name: 5-(4-ethylphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyrazolidine-3-carboxamide hydrate Traditional Name: 5-(4-ethylphenyl)-N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyrazolidine-3-carboxamide hydrate Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(NN2)C(=O)NN=C(C)C3=CC(=CC=C3)[N+](=O)[O-].O

Isomeric SMILES

CCC1=CC=C(C=C1)C2CC(NN2)C(=O)N/N=C(\C)/C3=CC(=CC=C3)[N+](=O)[O-].O

InChI

InChI=1S/C20H23N5O3.H2O/c1-3-14-7-9-15(10-8-14)18-12-19(23-22-18)20(26)24-21-13(2)16-5-4-6-17(11-16)25(27)28;/h4-11,18-19,22-23H,3,12H2,1-2H3,(H,24,26);1H2/b21-13+;